N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O2S2/c1-13-16(12-19(27)25-22-24-17-10-6-7-11-18(17)30-22)20(28)26-21(23-13)29-14(2)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,23,26,28)(H,24,25,27)